SCHEMBL156240

SCHEMBL156240

Nc1ccc2c(O)ccc(S(=O)(=O)O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.54
HKDC1 Q2TB90 2/20 0.51
TNNI3 P19429 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
CASP6 P55212 3/20 0.50
NSD2 O96028 2/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
RAPGEF4 Q8WZA2 1/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
PLAU P00749 1/20 0.46
LDHA P00338 1/20 0.46
COMT P21964 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
RECQL P46063 3/20 0.42
TDP1 Q9NUW8 3/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2688439 0.93 TNNI3 (0.55) NT5EHKDC1TNNI3TNNT2TNNC1
SCHEMBL31267947 0.89 NT5E (0.51) NT5EHKDC1TNNI3TNNT2TNNC1
SCHEMBL10961917 0.89 NT5E (0.51) NT5EHKDC1TNNI3TNNT2TNNC1
SCHEMBL4650278 0.84 TTR (0.55) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL158793 0.83 NT5E (0.53) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9698775 0.82 HSD17B10 (0.61) NT5EHKDC1TNNI3TNNT2TNNC1
SCHEMBL4649721 0.81 NT5E (0.64) NT5EHKDC1CASP6NSD2DUSP3
SCHEMBL11595565 0.80 LDHA (0.61) NT5EHKDC1TNNI3TNNT2TNNC1
SCHEMBL8113889 0.80 TNNI3 (0.53) NT5EHKDC1TNNI3TNNT2TNNC1
SCHEMBL17000438 0.80 TTR (0.55) NT5EHKDC1TNNI3TNNT2TNNC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120056931-A1 MAGENTA COLORING MATTER, INK COMPOSITION, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-03-08 US disclosed
EP-0763197-A1 METHOD AND APPARATUS FOR AUTOMATED CARBOHYDRATE MAPPING AND SEQUENCING PERKIN-ELMER CORPORATION (US) 1997-03-19 EP disclosed
WO-1995033989-A1 METHOD AND APPARATUS FOR AUTOMATED CARBOHYDRATE MAPPING AND SEQUENCING PERKIN-ELMER CORPORATION (US) 1995-12-14 WO disclosed
EP-0459259-B1 Disazo dyes BAYER AG (DE) 1994-11-30 EP disclosed
EP-0301350-B1 Disazo dyes BAYER AG (DE) 1994-09-14 EP disclosed
US-5233027-A COPPER COMPLEXES OF SULPHO GROUPS CONTAINING DISAZO DYESTUFFS BAYER AKTIENGESELLSCHAFT (DE) 1993-08-03 US disclosed
EP-0459259-A1 Disazo dyes BAYER AG (DE) 1991-12-04 EP disclosed
US-4988805-A Naphtholazophenylazoaminonaphthol compounds and copper complexes thereof BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
EP-0013784-B1 C-SUBSTITUTED NAPHTHALENEMONOSULFONIC UREIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-02-23 EP disclosed
US-4297372-A ANTIARTHRITIC AGENTS; COLLAGENASE AND PROTEOLYTIC ENZYME INHIBITORS; BONE, SKIN, AND ORAL DISORDERS AMERICAN CYANAMID COMPANY (US) 1981-10-27 US disclosed
EP-0013784-A1 C-Substituted naphthalenemonosulfonic ureides, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-08-06 EP disclosed
US-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed
US-4216164-A Ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed
US-4077767-A Process for the preparation of concentrated solutions of urea compounds BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 US disclosed